1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione

C26H29N3O6 — CID 663990

IUPAC1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C26H29N3O6/c1-3-28-19-8-5-4-7-18(19)26(25(28)33)21(22(30)20-10-9-17(2)35-20)23(31)24(32)29(26)12-6-11-27-13-15-34-16-14-27/h4-5,7-10,31H,3,6,11-16H2,1-2H3
InChIKeyACDXUHNGIDXQQA-UHFFFAOYSA-N
MW479.53 g/mol
LogP2.41
Rot. Bonds7

About 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione

1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 663990) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
PubChem CID663990
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C26H29N3O6/c1-3-28-19-8-5-4-7-18(19)26(25(28)33)21(22(30)20-10-9-17(2)35-20)23(31)24(32)29(26)12-6-11-27-13-15-34-16-14-27/h4-5,7-10,31H,3,6,11-16H2,1-2H3
InChIKeyACDXUHNGIDXQQA-UHFFFAOYSA-N
XLogP2.41
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione (CID 663990) is 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione is CCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21.
What is the InChIKey of 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is ACDXUHNGIDXQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-3-28-19-8-5-4-7-18(19)26(25(28)33)21(22(30)20-10-9-17(2)35-20)23(31)24(32)29(26)12-6-11-27-13-15-34-16-14-27/h4-5,7-10,31H,3,6,11-16H2,1-2H3.
What are the key properties of 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione?
1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 479.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 663990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).